CID 14563594

124288-95-5

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₃S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CCCNC2=O

InChI

InChI=1S/C12H16N2O3S/c1-9-4-6-10(7-5-9)18(16,17)14-11-3-2-8-13-12(11)15/h4-7,11,14H,2-3,8H2,1H3,(H,13,15)/t11-/m0/s1

InChIKey

PALMXGBKWJQTIS-NSHDSACASA-N

Compound name

4-methyl-N-[(3S)-2-oxopiperidin-3-yl]benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 268.08817 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	269.095446	158.3
[M+Na]+	291.077388	164.3
[M-H]-	267.080894	161.8
[M+NH4]+	286.121993	172.6
[M+K]+	307.051328	159.6
[M+H-H2O]+	251.085430	151.2
[M+HCOO]-	313.086371	171.7
[M+CH3COO]-	327.102021	192.5
[M+Na-2H]-	289.062836	161.3
[M]+	268.08762142	155.1
[M]-	268.08871858	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe